2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide

C16H13BrCl2N2O4 — CID 5229550

IUPAC2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C16H13BrCl2N2O4/c17-11-7-10(18)5-6-13(11)24-8-15(22)20-21-16(23)9-25-14-4-2-1-3-12(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyPKCLHYPPUQKLFM-UHFFFAOYSA-N
MW448.10 g/mol
LogP3.36
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide

2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide (PubChem CID 5229550) has the molecular formula C16H13BrCl2N2O4 and a molecular weight of 448.10 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
PubChem CID5229550
Molecular FormulaC16H13BrCl2N2O4
Molecular Weight448.10 g/mol
Exact Mass445.94
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C16H13BrCl2N2O4/c17-11-7-10(18)5-6-13(11)24-8-15(22)20-21-16(23)9-25-14-4-2-1-3-12(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyPKCLHYPPUQKLFM-UHFFFAOYSA-N
XLogP3.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.10
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6232626
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 1366597
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide (CID 5229550) is 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide is O=C(COc1ccccc1Cl)NNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide?
The InChIKey is PKCLHYPPUQKLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O4/c17-11-7-10(18)5-6-13(11)24-8-15(22)20-21-16(23)9-25-14-4-2-1-3-12(14)19/h1-7H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide?
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide has a molecular weight of 448.10 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 5229550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).